CAS No.: 3983-45-7 — Ronoxon (Fenchlorphos Oxon)

1. Primary Information

English name:	Ronoxon
CAS No.:	3983-45-7
Molecular formula:	C₈H₈Cl₃O₄P
Molecular weight:	305.5 g/mol
SMILES:	COP(=O)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
Structural class:
Other identifiers:	O,O-dimethyl O-2,4,5-trichlorophenyl phosphate ronnel oxygen analog ronoxon

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100ug/ml	744	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 -0.7323 -3.2408 -0.0843 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5603 2.7255 0.1081 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7128 0.3414 -0.2943 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1731 0.2884 0.4793 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 -0.8275 0.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 1.0980 -0.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -0.5757 0.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 1.1394 1.7087 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3131 -0.5628 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 -1.5913 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 0.7628 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0923 1.0622 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 -1.2921 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 0.0348 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 2.0644 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8285 -1.4267 -0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0448 1.5876 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 -2.0950 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0817 2.4991 -2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 1.6007 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 2.8561 -0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.8616 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 -2.2254 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -1.8727 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

dimethyl (2,4,5-trichlorophenyl) phosphate

4.2 InChI

InChI=1S/C8H8Cl3O4P/c1-13-16(12,14-2)15-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3

4.3 InChIKey

XWMMHXRGYYPFAV-UHFFFAOYSA-N

4.4 Canonical SMILES

COP(=O)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)